N-prop-2-ynoxycyclohexanimine

Base Information

• Chemical Name: N-prop-2-ynoxycyclohexanimine
• CAS No.: 174004-17-2
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.208
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID20391220
• Mol file: 174004-17-2.mol

Synonyms:174004-17-2;N-prop-2-ynoxycyclohexanimine;Cyclohexanone O-prop-2-ynyl-oxime;N-(prop-2-yn-1-yloxy)cyclohexanimine;Cyclohexanone, O-2-propyn-1-yloxime;MFCD01822482;DTXSID20391220;BBL101129;STL554925;AKOS005256627;Cyclohexanone O-prop-2-yn-1-yl oxime

Chemical Property of N-prop-2-ynoxycyclohexanimine

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 217°Cat760mmHg
• Flash Point: 72.4°C
• PSA: 21.59000
• Density: 0.95g/cm³
• LogP: 1.95630
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

N-(prop-2-yn-1-yloxy)cyclohexanimine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCON=C1CCCCC1

Technology Process of N-prop-2-ynoxycyclohexanimine

There total 2 articles about N-prop-2-ynoxycyclohexanimine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

cyclohexanone-oxime (100-64-1) + 2-propynyl chloride (624-65-7) → cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + Cyclohexanone O-prop-2-ynyl-oxime (174004-17-2)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 - 35 ℃; for 2.5h;

Reference yield: 72.0%

cyclohexanone-oxime (100-64-1) + 2-propynyl chloride (624-65-7) → Cyclohexanone O-prop-2-ynyl-oxime (174004-17-2)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 2h; Product distribution; Ambient temperature; var. ketoximes;

DOI:10.1016/0040-4039(95)01935-B

upstream raw materials:

cyclohexanone-oxime

2-propynyl chloride

Refernces

• 1、 Trofimov, Boris A.,Tarasova, Ol'ga A.,Sigalov, Mark V.,Mikhaleva, Al'bina I.. "The Base-Catalysed Rearrangement of O-Propargyl Ketoximes to N-1-Alkenyl Acryl Amides". . p. 9181 - 9184. Retrieved 2007/10/02.